N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-chlorobenzamide
Chemical Structure Depiction of
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-chlorobenzamide
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-chlorobenzamide
Compound characteristics
| Compound ID: | V010-5599 |
| Compound Name: | N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-chlorobenzamide |
| Molecular Weight: | 367.88 |
| Molecular Formula: | C21 H22 Cl N3 O |
| Salt: | not_available |
| Smiles: | Cc1c(c(c2ccc(cc2)C(C)(C)C)n[nH]1)NC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0741 |
| logD: | 5.0717 |
| logSw: | -5.1889 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.771 |
| InChI Key: | XAXYLIIWWGWKSG-UHFFFAOYSA-N |